JTE-607

Chemical Information
JTE-607 dihydrochloride is the dihydrochloride salt of JTE-607. It is a cytokine inhibitor which suppresses the production of proinflammatory cytokines such as interleukin (IL-1beta), IL-6, IL-8, granulocyte macrophage colony stimulating factor (GM-CSF), and tumor necrosis factor (TNF-alpha). It acts as a pro-drug which is cleaved by carboxylesterase 1 (CES1) to its active free acid form, which then binds to cleavage and polyadenylation specificity factor 3 (CPSF3). It has a role as a CPSF3 inhibitor, an antineoplastic agent, a prodrug, an anti-inflammatory agent, an apoptosis inducer and a cardioprotective agent. It contains a JTE-607(2+).
| CAS Number | 188791-09-5 |
| PubChem CID | 9938544 |
| IUPAC Name | ethyl (2S)-2-[[3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzoyl]amino]-3-phenylpropanoate;dihydrochloride |
| Molecular Formula | C25H33Cl4N3O5 |
| Molecular Weight | 597.4 |
| Topological Polar Surface Area | 91.3 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 11 |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 673 |
| Property | Value |
|---|---|
| Molecular Weight | 597.4 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 11 |
| Exact Mass | 597.114482 |
| Monoisotopic Mass | 595.117432 |
| Topological Polar Surface Area | 91.3 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 673 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 3 |
| Compound Is Canonicalized | Yes |
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